4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene

C19H11Cl3N2O — CID 594467

IUPAC4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene
SMILESClc1ccc(C2Cc3noc4c3c(nc3ccc(Cl)cc34)C2)c(Cl)c1
InChIInChI=1S/C19H11Cl3N2O/c20-10-2-4-15-13(7-10)19-18-16(23-15)5-9(6-17(18)24-25-19)12-3-1-11(21)8-14(12)22/h1-4,7-9H,5-6H2
InChIKeyDWSHOLKJSUCVBS-UHFFFAOYSA-N
MW389.67 g/mol
LogP6.22
Rot. Bonds1

About 4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene

4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene (PubChem CID 594467) has the molecular formula C19H11Cl3N2O and a molecular weight of 389.67 g/mol. Its IUPAC name is 4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene.

Molecular Properties

Compound Name4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene
PubChem CID594467
Molecular FormulaC19H11Cl3N2O
Molecular Weight389.67 g/mol
Exact Mass387.99
IUPAC Name4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene
SMILESClc1ccc(C2Cc3noc4c3c(nc3ccc(Cl)cc34)C2)c(Cl)c1
InChIInChI=1S/C19H11Cl3N2O/c20-10-2-4-15-13(7-10)19-18-16(23-15)5-9(6-17(18)24-25-19)12-3-1-11(21)8-14(12)22/h1-4,7-9H,5-6H2
InChIKeyDWSHOLKJSUCVBS-UHFFFAOYSA-N
XLogP6.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.67
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-cyclopropylquinazolin-4-amine
CID 106583780
4-(2,4-dichlorophenyl)piperidine-2,6-dione
CID 63156604
6-chloro-4-cyclopropylquinazolin-2-amine
CID 105475079
10-chloronaphtho[2,1-g][1,3]benzoxazole
CID 162517870
7-chloro-9-methyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one
CID 44561039
5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione
CID 620149
3-bromo-5-(2,4-dichlorophenyl)cyclohex-2-en-1-one
CID 13248551
7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine
CID 10537618
(1S,13S)-6-chloro-15-ethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),5,7,10,14-hexaen-3-amine
CID 838971
4-(1-aminocyclopropyl)-6-chloroquinazolin-2-amine
CID 105495563
4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374961
9-chloro-2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 91653372

Frequently Asked Questions

What is the IUPAC name of 4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene?
The IUPAC name of 4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene (CID 594467) is 4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene.
What is the SMILES notation for 4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene?
The canonical SMILES for 4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene is Clc1ccc(C2Cc3noc4c3c(nc3ccc(Cl)cc34)C2)c(Cl)c1.
What is the InChIKey of 4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene?
The InChIKey is DWSHOLKJSUCVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3N2O/c20-10-2-4-15-13(7-10)19-18-16(23-15)5-9(6-17(18)24-25-19)12-3-1-11(21)8-14(12)22/h1-4,7-9H,5-6H2.
What are the key properties of 4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene?
4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene has a molecular weight of 389.67 g/mol, XLogP of 6.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-11-(2,4-dichlorophenyl)-15-oxa-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,13-hexaene is sourced from PubChem (CID 594467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).